(E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid

C22H27NO2 — CID 13417265

IUPAC(E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid
SMILESO=C(O)CCCCCCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C22H27NO2/c24-22(25)16-10-5-3-1-2-4-9-15-21(19-12-7-6-8-13-19)20-14-11-17-23-18-20/h6-8,11-15,17-18H,1-5,9-10,16H2,(H,24,25)/b21-15+
InChIKeyOILGTIRDDCJSRB-RCCKNPSSSA-N
MW337.46 g/mol
LogP5.72
Rot. Bonds11

About (E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid

(E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid (PubChem CID 13417265) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid.

Molecular Properties

Compound Name(E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid
PubChem CID13417265
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid
SMILESO=C(O)CCCCCCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C22H27NO2/c24-22(25)16-10-5-3-1-2-4-9-15-21(19-12-7-6-8-13-19)20-14-11-17-23-18-20/h6-8,11-15,17-18H,1-5,9-10,16H2,(H,24,25)/b21-15+
InChIKeyOILGTIRDDCJSRB-RCCKNPSSSA-N
XLogP5.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid?
The IUPAC name of (E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid (CID 13417265) is (E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid.
What is the SMILES notation for (E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid?
The canonical SMILES for (E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid is O=C(O)CCCCCCCC/C=C(\c1ccccc1)c1cccnc1.
What is the InChIKey of (E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid?
The InChIKey is OILGTIRDDCJSRB-RCCKNPSSSA-N. The full InChI is InChI=1S/C22H27NO2/c24-22(25)16-10-5-3-1-2-4-9-15-21(19-12-7-6-8-13-19)20-14-11-17-23-18-20/h6-8,11-15,17-18H,1-5,9-10,16H2,(H,24,25)/b21-15+.
What are the key properties of (E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid?
(E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid has a molecular weight of 337.46 g/mol, XLogP of 5.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-phenyl-11-pyridin-3-ylundec-10-enoic acid is sourced from PubChem (CID 13417265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).